Geometry & MOs

Info

ID:	442310
PubChem CID:	135251251
Reduced:	F2N2O3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	548.249566
ΔH_f, kcal/mol:	-171.16
Dipole, Da:	3.32
IP(EA), eV:	-8.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CCC(C=C1)[C@@H]2COCC2NC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CCC(C=C1)[C@@H]2COCC2NC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):